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PEXSI
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Implementation of the pole expansion subroutines. More...
#include "pexsi/pole.hpp"Namespaces | |
| PEXSI | |
| The main namespace. | |
Functions | |
| Complex | PEXSI::fd (Complex z, double beta, double mu) |
| Complex | PEXSI::fdDrvMu (Complex z, double beta, double mu) |
| Complex | PEXSI::fdDrvT (Complex z, double beta, double mu) |
| Complex | PEXSI::egy (Complex z, double beta, double mu) |
| Complex | PEXSI::hmz (Complex z, double beta, double mu) |
| void | PEXSI::ellipkkp (double *K, double *Kp, double *pL) |
| void | PEXSI::ellipjc (Complex *psn, Complex *pcn, Complex *pdn, Complex *pu, double *pL, int *flag) |
| int | PEXSI::GetPoleFunc (Complex(*func)(Complex, double, double), Complex *zshift, Complex *zweight, int *Npole, double *temp, double *gap, double *deltaE, double *mu) |
| Compute the pole expansion. More... | |
| int | PEXSI::GetPoleUpdateFunc (Complex(*func)(Complex, double, double), Complex *zshift, Complex *zweight, int *Npole, double *temp, double *gap, double *deltaE, double *mu, double *dmu) |
| Compute the update of the pole expansion. More... | |
| int | PEXSI::GetPoleDensity (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
| Pole expansion for the Fermi-Dirac operator. More... | |
| int | PEXSI::GetPoleDensityDrvMu (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
| Pole expansion for the derivative of the Fermi-Dirac operator with respect to the chemical potential mu. More... | |
| int | PEXSI::GetPoleDensityDrvT (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
| Pole expansion for the derivative of the Fermi-Dirac operator with respect to the temperature T \((1/\beta)\). More... | |
| int | PEXSI::GetPoleHelmholtz (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
| Pole expansion for the Helmholtz free energy function. More... | |
| int | PEXSI::GetPoleForce (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu) |
| Pole expansion for the energy density function. More... | |
| int | PEXSI::GetPoleDensityUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu) |
| Pole expansion for the Fermi-Dirac operator and update the weight at mu+dmu. More... | |
| int | PEXSI::GetPoleHelmholtzUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu) |
| Pole expansion for the Helmholtz free energy function. More... | |
| int | PEXSI::GetPoleForceUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu) |
| Pole expansion for the energy density function. More... | |
Implementation of the pole expansion subroutines.
1.8.6